N-(cyanomethyl)-2-(4-morpholin-4-ylanilino)acetamide

C14H18N4O2 — CID 63180100

IUPACN-(cyanomethyl)-2-(4-morpholin-4-ylanilino)acetamide
SMILESN#CCNC(=O)CNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H18N4O2/c15-5-6-16-14(19)11-17-12-1-3-13(4-2-12)18-7-9-20-10-8-18/h1-4,17H,6-11H2,(H,16,19)
InChIKeyZRTCISLXMWLACX-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.57
Rot. Bonds5

About N-(cyanomethyl)-2-(4-morpholin-4-ylanilino)acetamide

N-(cyanomethyl)-2-(4-morpholin-4-ylanilino)acetamide (PubChem CID 63180100) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(4-morpholin-4-ylanilino)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(4-morpholin-4-ylanilino)acetamide
PubChem CID63180100
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-(cyanomethyl)-2-(4-morpholin-4-ylanilino)acetamide
SMILESN#CCNC(=O)CNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H18N4O2/c15-5-6-16-14(19)11-17-12-1-3-13(4-2-12)18-7-9-20-10-8-18/h1-4,17H,6-11H2,(H,16,19)
InChIKeyZRTCISLXMWLACX-UHFFFAOYSA-N
XLogP0.57
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-(4-morpholin-4-ylanilino)-N-propan-2-ylacetamide
CID 60647079
2-cyano-N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]acetamide
CID 84580719
N-(2-methylpropyl)-2-(4-piperidin-1-ylanilino)acetamide
CID 60647120
N-(cyanomethyl)-2-[4-(dimethylamino)anilino]acetamide
CID 43617058
N-tert-butyl-4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide
CID 31699427
methyl 3-(4-morpholin-4-ylanilino)propanoate
CID 63180474
N-(4-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362335
2-cyano-2-methyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 60779241
2-methyl-3-(4-morpholin-4-ylanilino)propanenitrile
CID 55025369
2-hydroxy-2-methyl-3-(4-morpholin-4-ylanilino)propanoic acid
CID 104644459
5-(4-morpholin-4-ylanilino)pentanenitrile
CID 63172451
2-[4-(diethylsulfamoyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4846803

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(4-morpholin-4-ylanilino)acetamide?
The IUPAC name of N-(cyanomethyl)-2-(4-morpholin-4-ylanilino)acetamide (CID 63180100) is N-(cyanomethyl)-2-(4-morpholin-4-ylanilino)acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(4-morpholin-4-ylanilino)acetamide?
The canonical SMILES for N-(cyanomethyl)-2-(4-morpholin-4-ylanilino)acetamide is N#CCNC(=O)CNc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(cyanomethyl)-2-(4-morpholin-4-ylanilino)acetamide?
The InChIKey is ZRTCISLXMWLACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-5-6-16-14(19)11-17-12-1-3-13(4-2-12)18-7-9-20-10-8-18/h1-4,17H,6-11H2,(H,16,19).
What are the key properties of N-(cyanomethyl)-2-(4-morpholin-4-ylanilino)acetamide?
N-(cyanomethyl)-2-(4-morpholin-4-ylanilino)acetamide has a molecular weight of 274.32 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(4-morpholin-4-ylanilino)acetamide is sourced from PubChem (CID 63180100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).